N-cyclobutyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-cyclobutyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclobutyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclobutyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclobutyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclobutyl-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c27-22(25-18-7-5-8-18)15-21-23(28)24-12-13-26(21)16-17-6-4-11-20(14-17)29-19-9-2-1-3-10-19/h1-4,6,9-11,14,18,21H,5,7-8,12-13,15-16H2,(H,24,28)(H,25,27)/p+1/t21-/m1/s1